N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide

C25H20ClN3O5 — CID 2787545

IUPACN'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H20ClN3O5/c26-17-10-12-18(13-11-17)34-15-22(30)27-28-23(31)21(14-16-6-2-1-3-7-16)29-24(32)19-8-4-5-9-20(19)25(29)33/h1-13,21H,14-15H2,(H,27,30)(H,28,31)
InChIKeyHXXASJKEOJSTPE-UHFFFAOYSA-N
MW477.90 g/mol
LogP2.77
Rot. Bonds7

About N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide

N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide (PubChem CID 2787545) has the molecular formula C25H20ClN3O5 and a molecular weight of 477.90 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide
PubChem CID2787545
Molecular FormulaC25H20ClN3O5
Molecular Weight477.90 g/mol
Exact Mass477.11
IUPAC NameN'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H20ClN3O5/c26-17-10-12-18(13-11-17)34-15-22(30)27-28-23(31)21(14-16-6-2-1-3-7-16)29-24(32)19-8-4-5-9-20(19)25(29)33/h1-13,21H,14-15H2,(H,27,30)(H,28,31)
InChIKeyHXXASJKEOJSTPE-UHFFFAOYSA-N
XLogP2.77
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.90
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-3-oxo-4-phenoxy-1-phenylbutan-2-yl]isoindole-1,3-dione
CID 166441785
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl chloride
CID 42325650
(2R)-N-(3,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1189000
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]benzoic acid
CID 1272939
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide
CID 95185642
2-(4-chlorophenoxy)-N-(3-methyl-1-phenylbutan-2-yl)acetamide
CID 53338213
N-[2-(3-chloropropanoylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 108571884
[2-(2-chloroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 3555018
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8927721

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide (CID 2787545) is N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide is O=C(COc1ccc(Cl)cc1)NNC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide?
The InChIKey is HXXASJKEOJSTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O5/c26-17-10-12-18(13-11-17)34-15-22(30)27-28-23(31)21(14-16-6-2-1-3-7-16)29-24(32)19-8-4-5-9-20(19)25(29)33/h1-13,21H,14-15H2,(H,27,30)(H,28,31).
What are the key properties of N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide?
N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide has a molecular weight of 477.90 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide is sourced from PubChem (CID 2787545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).